Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19403829 | 0.82 | KDM4E (0.58) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL19139395 | 0.81 | PKM (0.47) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL5046395 | 0.81 | KDM4E (0.61) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7794045 | 0.79 | RAB9A (0.48) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28642573 | 0.78 | KDM4E (0.68) | KMT2AALDH1A1ADORA1ADORA2AKDM4E | |
| SCHEMBL21310837 | 0.78 | KDM4E (0.68) | KMT2AALDH1A1ADORA1ADORA2AKDM4E | |
| SCHEMBL28642570 | 0.78 | KDM4E (0.68) | KMT2AALDH1A1ADORA1ADORA2AKDM4E | |
| SCHEMBL83169 | 0.78 | CYP1A2 (0.48) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL2092342 | 0.78 | KMT2A (0.45) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL68901 | 0.76 | CYP1A2 (0.47) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1150963-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Aventis Pharma Deutschland GmbH (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000046214-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-08-10 | — | — | WO | disclosed |